SCHEMBL4491977

SCHEMBL4491977

CCc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c(C=O)c1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4477469 0.90 PDE1C (0.47) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL4494571 0.89 RAB9A (0.50) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL4490038 0.85 NPC1 (0.49) RAB9ANPC1KMT2AMAPTSTAT1
SCHEMBL4491743 0.84 MEN1 (0.54) ARRAB9AKMT2AADORA3MAPT
SCHEMBL4485662 0.84 GCGR (0.48) RAB9ANPC1KMT2AMAPTSTAT1
SCHEMBL4492335 0.83 RAB9A (0.43) ARRAB9ANPC1KMT2AADORA3
SCHEMBL4494081 0.80 RAB9A (0.47) ARRAB9ANPC1KMT2AMAPT
SCHEMBL4486128 0.79 KMT2A (0.52) RAB9ANPC1KMT2AADORA3MAPT
SCHEMBL4492326 0.79 RAB9A (0.51) RAB9ANPC1KMT2AMAPTSTAT1
SCHEMBL4502843 0.79 RAB9A (0.49) RAB9ANPC1KMT2AMAPTSTAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US claimed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
EP-1651599-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-09-24 EP disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
EP-1651599-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2006-05-03 EP disclosed
WO-2005009957-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2005-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 AR 1244/4885RAB9A 2642/4885NPC1 3657/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.